SCHEMBL5779982

SCHEMBL5779982

COC(=O)Cc1noc(-c2c(-c3ccccc3)noc2C)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRS1 P35568 1/20 0.51
PTGS2 P35354 5/20 0.49
PTGS1 P23219 2/20 0.49
MT-CO2 P00403 3/20 0.48
NR4A2 P43354 1/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MAPK14 Q16539 1/20 0.46
ALDH1A1 P00352 4/20 0.44
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
TSHR P16473 1/20 0.42
KDM4E B2RXH2 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
LMNA P02545 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5432044 0.81 IRS1 (0.51) IRS1PTGS2PTGS1MT-CO2NR4A2
SCHEMBL5431928 0.81 NOTUM (0.63) IRS1PTGS2PTGS1MT-CO2NR4A2
SCHEMBL5428577 0.79 PTGS2 (0.58) IRS1PTGS2PTGS1MT-CO2KMT2A
SCHEMBL5779987 0.77 PTGS2 (0.49) IRS1PTGS2PTGS1MT-CO2NR4A2
SCHEMBL5418130 0.74 KMT2A (0.58) IRS1PTGS2PTGS1MT-CO2NR4A2
SCHEMBL6983193 0.74 PTGS2 (0.67) IRS1PTGS2PTGS1MT-CO2KMT2A
SCHEMBL18472810 0.72 PTGS1 (0.49) PTGS2PTGS1KMT2AALDH1A1MEN1
SCHEMBL5071833 0.72 PTGS2 (0.80) PTGS2PTGS1MT-CO2NR4A2NPSR1
SCHEMBL5425155 0.71 PTGS2 (0.55) PTGS2PTGS1MT-CO2NR4A2KMT2A
SCHEMBL15058475 0.71 SMN1; SMN2 (0.57) MAPTALDH1A1L3MBTL1KDM4ELMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1675585-A2 LARGE CONDUCTANCE CALCIUM-ACTIVATED K CHANNEL OPENER TANABE SEIYAKU CO., LTD. (JP) 2006-07-05 EP disclosed
WO-2005037271-A2 LARGE CONDUCTANCE CALCIUM-ACTIVATED K CHANNEL OPENER TANABE SEIYAKU CO., LTD. (JP) 2005-04-28 WO disclosed